CID 360702

Nsc623038

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
CCC1=CC=CC(=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2)C
InChI
InChI=1S/C19H18N2O2S/c1-3-13-8-6-7-12(2)18(13)21-19(23)15(22)11-17-20-14-9-4-5-10-16(14)24-17/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKey
HBAKRMUVDKHXIM-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1089 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 179.7
[M+Na]+ 361.09812 188.5
[M-H]- 337.10162 186.8
[M+NH4]+ 356.14272 195.3
[M+K]+ 377.07206 182.9
[M+H-H2O]+ 321.10616 172.0
[M+HCOO]- 383.10710 197.9
[M+CH3COO]- 397.12275 212.3
[M+Na-2H]- 359.08357 180.3
[M]+ 338.10835 185.2
[M]- 338.10945 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.